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Atomistic Simulation of Coal Char Oxy-Fuel Combustion: Quantifying the Influences of CO2 to Char Reactivity

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Coal oxy-fuel combustion requires CO2 dilution (recycling) to reduce the furnace temperature for material protection. This enhanced CO2 concentration reduces the O2 reaction rate while CO2 gasification contributes to the… Click to show full abstract

Coal oxy-fuel combustion requires CO2 dilution (recycling) to reduce the furnace temperature for material protection. This enhanced CO2 concentration reduces the O2 reaction rate while CO2 gasification contributes to the char reactivity. These conflicting influences together with a competitive behavior between O2 and CO2 complicate char O2/CO2 combustion behavior. Individually quantifying the influences accompanying the replacement of N2 with CO2 and clarifying the competitive behavior are essential for predicting the char O2/CO2 combustion rate, but this is difficult to obtain via experimental approaches. Here, a simplistic atomistic simulation investigated the char oxy-fuel combustion behavior. In simulations, the reactants (O2 and CO2) were either permitted to both react with char or permitted to have only one reactive gas with the other being a passive (nonreactive) gas to explore reactivity for individual gases in a O2/CO2 atmosphere. Thus, gasification contribution to char reactivity was isolated an...

Keywords: oxy fuel; combustion; reactivity; char reactivity; fuel combustion

Journal Title: Energy & Fuels
Year Published: 2019

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